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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Carbamic acid,[2-amino-4-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-,1,1-dimethylethyl ester → [4-Chloro-2-{3-[3-(2-cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

HRID 1143513
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HRID 1143513 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[cH:39][c:40]([C:44]#[N:45])[n:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[cH:39][c:40]([C:44]#[N:45])[n:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:22]
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반응물 2

HCID 69486817Carbamic acid,[2-amino-4-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-,1,1-dimethylethyl esterHCID 694898853-[3-(2-Cyano-pyridin-4-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589367[4-Chloro-2-{3-[3-(2-cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-da8e1fcf79fb477884418fb68ef77cf0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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